ergo
matrix_algebra.h
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1 /* Ergo, version 3.8, a program for linear scaling electronic structure
2  * calculations.
3  * Copyright (C) 2019 Elias Rudberg, Emanuel H. Rubensson, Pawel Salek,
4  * and Anastasia Kruchinina.
5  *
6  * This program is free software: you can redistribute it and/or modify
7  * it under the terms of the GNU General Public License as published by
8  * the Free Software Foundation, either version 3 of the License, or
9  * (at your option) any later version.
10  *
11  * This program is distributed in the hope that it will be useful,
12  * but WITHOUT ANY WARRANTY; without even the implied warranty of
13  * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
14  * GNU General Public License for more details.
15  *
16  * You should have received a copy of the GNU General Public License
17  * along with this program. If not, see <http://www.gnu.org/licenses/>.
18  *
19  * Primary academic reference:
20  * Ergo: An open-source program for linear-scaling electronic structure
21  * calculations,
22  * Elias Rudberg, Emanuel H. Rubensson, Pawel Salek, and Anastasia
23  * Kruchinina,
24  * SoftwareX 7, 107 (2018),
25  * <http://dx.doi.org/10.1016/j.softx.2018.03.005>
26  *
27  * For further information about Ergo, see <http://www.ergoscf.org>.
28  */
29 
37 #include "realtype.h"
38 
39 void multiply_matrices_general(int An1, int An2, int Bn1, int Bn2, const ergo_real* A, const ergo_real* B, ergo_real* AB);
40 void multiply_matrices_general_T_1(int An1, int An2, int Bn1, int Bn2, const ergo_real* A, const ergo_real* B, ergo_real* AB);
matrix_algebra.h
A few matrix algebra routines for dense matrices.
realtype.h
Definition of the main floating-point datatype used; the ergo_real type.
dgemm_
void dgemm_(const char *ta, const char *tb, const int *n, const int *k, const int *l, const double *alpha, const double *A, const int *lda, const double *B, const int *ldb, const double *beta, double *C, const int *ldc)
memorymanag.h
Memory allocation/deallocation routines.
LOG_CAT_ERROR
#define LOG_CAT_ERROR
Definition: output.h:47
ergo_real
double ergo_real
Definition: realtype.h:69
multiply_matrices_general
void multiply_matrices_general(int An1, int An2, int Bn1, int Bn2, const ergo_real *A, const ergo_real *B, ergo_real *AB)
Definition: matrix_algebra.cc:67
ergo_malloc
void * ergo_malloc(size_t noOfBytes)
Definition: memorymanag.cc:49
B
#define B
multiply_matrices_general_T_1
void multiply_matrices_general_T_1(int An1, int An2, int Bn1, int Bn2, const ergo_real *A, const ergo_real *B, ergo_real *AB)
Definition: matrix_algebra.cc:113
LOG_AREA_LOWLEVEL
#define LOG_AREA_LOWLEVEL
Definition: output.h:63
mat::gemm
static void gemm(const char *ta, const char *tb, const int *n, const int *k, const int *l, const T *alpha, const T *A, const int *lda, const T *B, const int *ldb, const T *beta, T *C, const int *ldc)
Definition: mat_gblas.h:232
multiply_matrices_general_T_1
void multiply_matrices_general_T_1(int An1, int An2, int Bn1, int Bn2, const ergo_real *A, const ergo_real *B, ergo_real *AB)
Definition: matrix_algebra.cc:113
multiply_matrices_general
void multiply_matrices_general(int An1, int An2, int Bn1, int Bn2, const ergo_real *A, const ergo_real *B, ergo_real *AB)
Definition: matrix_algebra.cc:67
A
#define A
ergo_free
void ergo_free(void *p)
Definition: memorymanag.cc:68
do_output
void do_output(int logCategory, int logArea, const char *format,...)
Definition: output.cc:53
output.h
Functionality for writing output messages to a text file.